SCHEMBL7909220

SCHEMBL7909220

Cc1ccc2c(c1)CCN2C(=O)c1cc2[nH]c(=O)c3nnc(C4CCOC4)n3c2cc1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
ALDH1A1 P00352 4/20 0.36
NOTUM Q6P988 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7904316 0.93 AVPR2 (0.38) NOTUMCDK4CCND1
SCHEMBL7908028 0.92 ALDH1A1 (0.37) BRD4ALDH1A1NOTUMNPSR1CDK4
SCHEMBL1721492 0.88 AVPR2 (0.39) NOTUMCDK4CCND1
SCHEMBL12044806 0.88 BRD4 (0.36) BRD4ALDH1A1NOTUMCDK4CCND1
SCHEMBL12044758 0.88 AVPR2 (0.39) NOTUMCDK4CCND1
SCHEMBL12045153 0.88 PIK3CB (0.38) BRD4ALDH1A1NOTUMCDK4CCND1
SCHEMBL10053884 0.88 TUBB4A (0.35) PDK1PDK2PDK3PDK4
SCHEMBL7896957 0.88 PDE9A (0.41) BRD4ALDH1A1NOTUMCDK4CCND1
SCHEMBL7909964 0.87 PDE9A (0.32)
SCHEMBL15103332 0.86 NOTUM (0.40) NOTUM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A BRD4 1715/4885ALDH1A1 387/4885NOTUM 1035/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A BRD4 1518/4885ALDH1A1 1344/4885NOTUM 606/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.